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Determination of impurity–point defect binding energies in alloys

 

作者: FaulknerR. G.,   H.S. ,   FlewittP. E. J.,  

 

期刊: Materials Science and Technology  (Taylor Available online 1996)
卷期: Volume 12, issue 11  

页码: 904-910

 

ISSN:0267-0836

 

年代: 1996

 

DOI:10.1179/mst.1996.12.11.904

 

出版商: Taylor&Francis

 

数据来源: Taylor

 

摘要:

AbstractModelling of radiation induced or thermal non-equilibrium segregation needs data on impurity–point defect binding energies. These data are generally unavailable although some attempts have been made to calculate them. In the present paper an approach to calculating impurity–interstitial (mixed dumbbell) binding energies is established on the basis of strain field arguments. Earlier work is slightly modified for more accurate calculation of oversized impurity–vacancy binding energies. The method is applied to predictions of various impurity–point defect binding energies in several transition metal matrixes. With the aid of these predictions, other experimental and theoretical results on impurity–point defect binding energies and radiation induced segregation are reasonably explained.MST/3512

 

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